SCHEMBL11435882

SCHEMBL11435882

Cc1ccc2cccc(C(=O)Nc3nnn[nH]3)c2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ CD38 P28907 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ CASP3 P42574 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SENP8 Q96LD8 1/20 0.44
▸ SENP7 Q9BQF6 1/20 0.44
▸ SENP6 Q9GZR1 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ METAP2 P50579 1/20 0.40
▸ KDR P35968 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9501879 0.83 NPC1 (0.56) PARP1MAPTNPC1CASP3RAB9A
SCHEMBL11436038 0.82 ALDH1A1 (0.44) MAPTGAACD38NPC1CASP3
SCHEMBL12892209 0.78 MAPT (0.52) MAPTGAANPC1RAB9AALDH1A1
SCHEMBL8612811 0.78 GRM5 (0.57) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL2662445 0.77 ALPL (0.61) MAPTTP53NPC1RAB9AALDH1A1
SCHEMBL11195781 0.77 MAPT (0.55) MAPTGAATP53NPC1RAB9A
SCHEMBL10935200 0.76 GRM5 (0.56) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL10935209 0.76 GRM5 (0.56) MAPTTP53NPC1RAB9AKDM4E
SCHEMBL11559491 0.76 KDR (0.51) MAPTGAATP53NPC1RAB9A
SCHEMBL19206635 0.76 MAPT (0.61) PARP1MAPTGAACD38TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4186201-A ANTIALLERGIC AGENTS RIKER LABORATORIES, INC. (US) 1980-01-29 — — US disclosed
US-4147694-A ANTIALLERGENS, ANTIHISTAMINES RIKER LABORATORIES, INC. (US) 1979-04-03 — — US disclosed
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